SCHEMBL1590622

SCHEMBL1590622

O=C(O)Cc1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.47
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
CA2 P00918 1/20 0.34
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10058511 1.00 PTGER4 (0.47) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL4610415 0.96 PTGER4 (0.46) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL9947945 0.96 PTGER4 (0.46) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL9948176 0.93 PTGER4 (0.56) PTGER4CYP1A2CYP2D6
SCHEMBL9947715 0.93 PTGER4 (0.58) PTGER4CYP1A2CYP2D6
SCHEMBL9947794 0.92 PTGER4 (0.48) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL9947608 0.92 PTGER4 (0.50) PTGER4CYP1A2CYP2D6THRATHRB
SCHEMBL2926089 0.91 PTGER4 (0.49) PTGER4CYP1A2CYP2D6CA2AKR1B1
SCHEMBL10058510 0.90 PTGER4 (0.48) PTGER4CYP1A2CYP2D6AKR1B1KDM4E
SCHEMBL1590641 0.90 PTGER4 (0.48) PTGER4CYP1A2CYP2D6AKR1B1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885CYP1A2 41/4885CYP2D6 52/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.